N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide

C19H26N6O — CID 129328202

IUPACN-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)nn1
InChIInChI=1S/C19H26N6O/c1-3-20-19(26)14-10-11-17(23-22-14)25-12-6-9-16(25)18-21-13-7-4-5-8-15(13)24(18)2/h10-11,16H,3-9,12H2,1-2H3,(H,20,26)/t16-/m0/s1
InChIKeyAWBVWFDFCQYVMY-INIZCTEOSA-N
MW354.46 g/mol
LogP2.18
Rot. Bonds4

About N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide

N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide (PubChem CID 129328202) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
PubChem CID129328202
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC NameN-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)nn1
InChIInChI=1S/C19H26N6O/c1-3-20-19(26)14-10-11-17(23-22-14)25-12-6-9-16(25)18-21-13-7-4-5-8-15(13)24(18)2/h10-11,16H,3-9,12H2,1-2H3,(H,20,26)/t16-/m0/s1
InChIKeyAWBVWFDFCQYVMY-INIZCTEOSA-N
XLogP2.18
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide (CID 129328202) is N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide is CCNC(=O)c1ccc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)nn1.
What is the InChIKey of N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is AWBVWFDFCQYVMY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-20-19(26)14-10-11-17(23-22-14)25-12-6-9-16(25)18-21-13-7-4-5-8-15(13)24(18)2/h10-11,16H,3-9,12H2,1-2H3,(H,20,26)/t16-/m0/s1.
What are the key properties of N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide?
N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 129328202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).